N-[2-[(4-pyrrol-1-ylbenzoyl)amino]ethyl]pyridine-4-carboxamide

C19H18N4O2 — CID 108542296

IUPACN-[2-[(4-pyrrol-1-ylbenzoyl)amino]ethyl]pyridine-4-carboxamide
SMILESO=C(NCCNC(=O)c1ccc(-n2cccc2)cc1)c1ccncc1
InChIInChI=1S/C19H18N4O2/c24-18(15-3-5-17(6-4-15)23-13-1-2-14-23)21-11-12-22-19(25)16-7-9-20-10-8-16/h1-10,13-14H,11-12H2,(H,21,24)(H,22,25)
InChIKeyCDVXMBHLLJDWKB-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.03
Rot. Bonds6

About N-[2-[(4-pyrrol-1-ylbenzoyl)amino]ethyl]pyridine-4-carboxamide

N-[2-[(4-pyrrol-1-ylbenzoyl)amino]ethyl]pyridine-4-carboxamide (PubChem CID 108542296) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is N-[2-[(4-pyrrol-1-ylbenzoyl)amino]ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-pyrrol-1-ylbenzoyl)amino]ethyl]pyridine-4-carboxamide
PubChem CID108542296
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC NameN-[2-[(4-pyrrol-1-ylbenzoyl)amino]ethyl]pyridine-4-carboxamide
SMILESO=C(NCCNC(=O)c1ccc(-n2cccc2)cc1)c1ccncc1
InChIInChI=1S/C19H18N4O2/c24-18(15-3-5-17(6-4-15)23-13-1-2-14-23)21-11-12-22-19(25)16-7-9-20-10-8-16/h1-10,13-14H,11-12H2,(H,21,24)(H,22,25)
InChIKeyCDVXMBHLLJDWKB-UHFFFAOYSA-N
XLogP2.03
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-[(4-pyrrol-1-ylbenzoyl)amino]ethyl]pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-phenyl-N-[2-[(4-pyrrol-1-ylbenzoyl)amino]ethyl]benzamide
CID 108538421
N-propyl-4-pyrrol-1-ylbenzamide
CID 24536436
N-[3-[(4-pyrrol-1-ylbenzoyl)amino]propyl]pyridine-3-carboxamide
CID 108926632
4-pyrrol-1-yl-N-(2-thiophen-2-ylethyl)benzamide
CID 27770345
4-pyrrol-1-yl-N-(2-pyrrol-1-ylethyl)benzamide
CID 110742702
N-[2-(2,2-dimethylpropanoylamino)ethyl]-4-pyrrol-1-ylbenzamide
CID 108542314
N-(1-pyridin-4-ylethylideneamino)-4-pyrrol-1-ylbenzamide
CID 3606783
N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]-4-pyrrol-1-ylbenzamide
CID 108749141
N-[2-(4-chlorophenyl)ethyl]-4-pyrrol-1-ylbenzamide
CID 9403209
N-[2-(4-fluorophenyl)ethyl]-4-pyrrol-1-ylbenzamide
CID 9402673
2-methoxy-N-[2-[(4-pyrrol-1-ylbenzoyl)amino]ethyl]benzamide
CID 108538081
N-(3-pyrazol-1-ylpropyl)pyridine-4-carboxamide
CID 35285072

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-pyrrol-1-ylbenzoyl)amino]ethyl]pyridine-4-carboxamide?
The IUPAC name of N-[2-[(4-pyrrol-1-ylbenzoyl)amino]ethyl]pyridine-4-carboxamide (CID 108542296) is N-[2-[(4-pyrrol-1-ylbenzoyl)amino]ethyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-[(4-pyrrol-1-ylbenzoyl)amino]ethyl]pyridine-4-carboxamide?
The canonical SMILES for N-[2-[(4-pyrrol-1-ylbenzoyl)amino]ethyl]pyridine-4-carboxamide is O=C(NCCNC(=O)c1ccc(-n2cccc2)cc1)c1ccncc1.
What is the InChIKey of N-[2-[(4-pyrrol-1-ylbenzoyl)amino]ethyl]pyridine-4-carboxamide?
The InChIKey is CDVXMBHLLJDWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c24-18(15-3-5-17(6-4-15)23-13-1-2-14-23)21-11-12-22-19(25)16-7-9-20-10-8-16/h1-10,13-14H,11-12H2,(H,21,24)(H,22,25).
What are the key properties of N-[2-[(4-pyrrol-1-ylbenzoyl)amino]ethyl]pyridine-4-carboxamide?
N-[2-[(4-pyrrol-1-ylbenzoyl)amino]ethyl]pyridine-4-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-pyrrol-1-ylbenzoyl)amino]ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 108542296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).